Geometry & MOs

Info

ID:

419865

PubChem CID:

135109451

Reduced:

O8N11C45H55 (1)

Stoich.:

A8B11C45D55 (1)

Weight, g/mol:

356.130697

ΔHf, kcal/mol:

-186.77

Dipole, Da:

10.06

IP(EA), eV:

 -8.49(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=C(C=CC(=C5)N6C=NN=N6)O)C(C)C

DOS

IR

Vibrations